Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C36H39ClFN7O4.H2O4S |
| Molecular Weight | 786.269 |
| Optical Activity | UNSPECIFIED |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, R |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)C1=NC=CC(C)=C1N2C(=O)C3=C(N4C[C@@H](C)N(C[C@@H]4C(=O)N3CCN(C)C)C(=O)C=C)C5=C2N=C(C(Cl)=C5)C6=C(O)C=CC=C6F
InChI
InChIKey=VHIUXAHGWFMNAS-UPWLLONGSA-N
InChI=1S/C36H39ClFN7O4.H2O4S/c1-8-27(47)43-18-25-35(48)42(15-14-41(6)7)33-32(44(25)17-21(43)5)22-16-23(37)30(28-24(38)10-9-11-26(28)46)40-34(22)45(36(33)49)31-20(4)12-13-39-29(31)19(2)3;1-5(2,3)4/h8-13,16,19,21,25,46H,1,14-15,17-18H2,2-7H3;(H2,1,2,3,4)/t21-,25-;/m1./s1
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C36H39ClFN7O4 |
| Molecular Weight | 688.191 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 10:41:22 GMT 2025
by
admin
on
Wed Apr 02 10:41:22 GMT 2025
|
| Record UNII |
DX3TX7XW58
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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2839563-03-8
Created by
admin on Wed Apr 02 10:41:22 GMT 2025 , Edited by admin on Wed Apr 02 10:41:22 GMT 2025
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PRIMARY | |||
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DX3TX7XW58
Created by
admin on Wed Apr 02 10:41:22 GMT 2025 , Edited by admin on Wed Apr 02 10:41:22 GMT 2025
|
PRIMARY |
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